4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine

C15H30N2O — CID 63070084

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCN1CCCC2CCCCC21
InChIInChI=1S/C15H30N2O/c1-2-18-14(12-16)9-11-17-10-5-7-13-6-3-4-8-15(13)17/h13-15H,2-12,16H2,1H3
InChIKeyNHSOAXPRWSRHQS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds6

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine (PubChem CID 63070084) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
PubChem CID63070084
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
SMILESCCOC(CN)CCN1CCCC2CCCCC21
InChIInChI=1S/C15H30N2O/c1-2-18-14(12-16)9-11-17-10-5-7-13-6-3-4-8-15(13)17/h13-15H,2-12,16H2,1H3
InChIKeyNHSOAXPRWSRHQS-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine with MolForge

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
CID 63069725
1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319822
1-(4-amino-3-ethoxybutyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194932
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
2-ethoxy-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83052818
1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide
CID 63072374
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-amine
CID 102726915
3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
CID 106115066
2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine
CID 81198469

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine (CID 63070084) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine is CCOC(CN)CCN1CCCC2CCCCC21.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine?
The InChIKey is NHSOAXPRWSRHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-18-14(12-16)9-11-17-10-5-7-13-6-3-4-8-15(13)17/h13-15H,2-12,16H2,1H3.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine is sourced from PubChem (CID 63070084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).